3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine

C45H36N4 — CID 58389698

IUPAC3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cncc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3N(c3ccncc3)c3ccncc3)cc21
InChIInChI=1S/C45H36N4/c1-44(2)39-11-7-5-9-33(39)35-15-13-29(25-41(35)44)37-27-48-28-38(43(37)49(31-17-21-46-22-18-31)32-19-23-47-24-20-32)30-14-16-36-34-10-6-8-12-40(34)45(3,4)42(36)26-30/h5-28H,1-4H3
InChIKeyNAHCDINKVMHSOU-UHFFFAOYSA-N
MW632.81 g/mol
LogP11.29
Rot. Bonds5

About 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine

3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine (PubChem CID 58389698) has the molecular formula C45H36N4 and a molecular weight of 632.81 g/mol. Its IUPAC name is 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine
PubChem CID58389698
Molecular FormulaC45H36N4
Molecular Weight632.81 g/mol
Exact Mass632.29
IUPAC Name3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cncc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3N(c3ccncc3)c3ccncc3)cc21
InChIInChI=1S/C45H36N4/c1-44(2)39-11-7-5-9-33(39)35-15-13-29(25-41(35)44)37-27-48-28-38(43(37)49(31-17-21-46-22-18-31)32-19-23-47-24-20-32)30-14-16-36-34-10-6-8-12-40(34)45(3,4)42(36)26-30/h5-28H,1-4H3
InChIKeyNAHCDINKVMHSOU-UHFFFAOYSA-N
XLogP11.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164989703
N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine
CID 166714002
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
CID 58389700
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine?
The IUPAC name of 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine (CID 58389698) is 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine.
What is the SMILES notation for 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine?
The canonical SMILES for 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine is CC1(C)c2ccccc2-c2ccc(-c3cncc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3N(c3ccncc3)c3ccncc3)cc21.
What is the InChIKey of 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine?
The InChIKey is NAHCDINKVMHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4/c1-44(2)39-11-7-5-9-33(39)35-15-13-29(25-41(35)44)37-27-48-28-38(43(37)49(31-17-21-46-22-18-31)32-19-23-47-24-20-32)30-14-16-36-34-10-6-8-12-40(34)45(3,4)42(36)26-30/h5-28H,1-4H3.
What are the key properties of 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine?
3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine has a molecular weight of 632.81 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine is sourced from PubChem (CID 58389698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).